N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide

C18H22FIN4O2 — CID 111092007

IUPACN-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CCNC(=O)Cc2cccc(F)c2)cc1.I
InChIInChI=1S/C18H21FN4O2.HI/c1-25-16-7-5-15(6-8-16)23-18(20)22-10-9-21-17(24)12-13-3-2-4-14(19)11-13;/h2-8,11H,9-10,12H2,1H3,(H,21,24)(H3,20,22,23);1H
InChIKeyFMHUSTYHGDTFPR-UHFFFAOYSA-N
MW472.30 g/mol
LogP2.54
Rot. Bonds7

About N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide

N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide (PubChem CID 111092007) has the molecular formula C18H22FIN4O2 and a molecular weight of 472.30 g/mol. Its IUPAC name is N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
PubChem CID111092007
Molecular FormulaC18H22FIN4O2
Molecular Weight472.30 g/mol
Exact Mass472.08
IUPAC NameN-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CCNC(=O)Cc2cccc(F)c2)cc1.I
InChIInChI=1S/C18H21FN4O2.HI/c1-25-16-7-5-15(6-8-16)23-18(20)22-10-9-21-17(24)12-13-3-2-4-14(19)11-13;/h2-8,11H,9-10,12H2,1H3,(H,21,24)(H3,20,22,23);1H
InChIKeyFMHUSTYHGDTFPR-UHFFFAOYSA-N
XLogP2.54
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.30
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111092034
N-[2-[[amino-(3-phenoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111599949
N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042762
2-(3-fluorophenyl)-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 112987540
N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
CID 119112923
N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111092010
2-[[amino-(4-methoxyanilino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093852
2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 113090470
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111055676
2-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111031471
2-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111068622

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide (CID 111092007) is N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide is COc1ccc(N/C(N)=N/CCNC(=O)Cc2cccc(F)c2)cc1.I.
What is the InChIKey of N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide?
The InChIKey is FMHUSTYHGDTFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2.HI/c1-25-16-7-5-15(6-8-16)23-18(20)22-10-9-21-17(24)12-13-3-2-4-14(19)11-13;/h2-8,11H,9-10,12H2,1H3,(H,21,24)(H3,20,22,23);1H.
What are the key properties of N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide?
N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide has a molecular weight of 472.30 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide is sourced from PubChem (CID 111092007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).